Ursodeoxycholic Acid-24-13C

Analyte Name

Ursodeoxycholic Acid 24-13C

CAS Number

63296-46-8

Molecular Formula

C23(¹³C)H40O4

Molecular Weight

393.57

Accurate Mass

393.3

SMILES

C[C@@]12[C@](CC[C@]2([H])[C@H](C)CC[13C](O)=O)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4([C@](C[C@@H](CC4)O)([H])C[C@@H]3O)C

InChI

InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1/i21+1

IUPAC

(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic-1-13C acid

Unlabelled CAS Number

128-13-2

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ursodeoxycholic Acid

Purity

>95% (HPLC)